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  1. Third-Parties
  2. MatprojStructure
  3. mp-754377

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-754377
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'O']
  • Chemical System: K-O-Ti
  • Density: 2.5100446291032164
  • Atomic Density: 0.05071337298676403
  • Unit Cell Volume: 354.93596540498146
  • Molar Volume: 11.874857469196048
  • Full Formula: K8 Ti2 O8
  • Reduced Formula: K4TiO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -105.73635908
  • Final energy per atom: -5.874242171111111
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.